2-[(2-fluoro-3-methoxyphenyl)methylamino]cyclohexan-1-ol

C14H20FNO2 — CID 104791760

IUPAC2-[(2-fluoro-3-methoxyphenyl)methylamino]cyclohexan-1-ol
SMILESCOc1cccc(CNC2CCCCC2O)c1F
InChIInChI=1S/C14H20FNO2/c1-18-13-8-4-5-10(14(13)15)9-16-11-6-2-3-7-12(11)17/h4-5,8,11-12,16-17H,2-3,6-7,9H2,1H3
InChIKeyJYLKPVYWVQDNHW-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.23
Rot. Bonds4

About 2-[(2-fluoro-3-methoxyphenyl)methylamino]cyclohexan-1-ol

2-[(2-fluoro-3-methoxyphenyl)methylamino]cyclohexan-1-ol (PubChem CID 104791760) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-[(2-fluoro-3-methoxyphenyl)methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(2-fluoro-3-methoxyphenyl)methylamino]cyclohexan-1-ol
PubChem CID104791760
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name2-[(2-fluoro-3-methoxyphenyl)methylamino]cyclohexan-1-ol
SMILESCOc1cccc(CNC2CCCCC2O)c1F
InChIInChI=1S/C14H20FNO2/c1-18-13-8-4-5-10(14(13)15)9-16-11-6-2-3-7-12(11)17/h4-5,8,11-12,16-17H,2-3,6-7,9H2,1H3
InChIKeyJYLKPVYWVQDNHW-UHFFFAOYSA-N
XLogP2.23
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(2-fluoro-3-methoxyphenyl)methylamino]cyclohexyl]methanol
CID 106361157
trans-(1S,2S)-2-[(2,3-dimethoxyphenyl)methylamino]cyclohexan-1-ol
CID 94414022
2-[(2-methoxyphenyl)methylamino]cyclopentan-1-ol
CID 60713485
N-[(2-fluoro-3-methoxyphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 104791697
trans-(1R,2R)-1-N,2-N-bis[(2-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 71414214
N-cyclopentyloxy-1-(2-fluoro-3-methoxyphenyl)methanamine
CID 113453577
2-fluoro-3-[[(2-hydroxycycloheptyl)amino]methyl]benzonitrile
CID 107114776
2-[(2,4-dimethoxyphenyl)methylamino]cyclohexan-1-ol
CID 62365081
2-[(3-fluoro-4-methoxyphenyl)methylamino]cyclohexan-1-ol
CID 60612459
cis-(1R,2S)-2-[(2-chloro-3,4-dimethoxyphenyl)methylamino]cyclohexan-1-ol
CID 124555929
2-cyclopentyl-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 104791607
N-chloro-1-(2-fluoro-3-methoxyphenyl)methanamine
CID 89169985

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluoro-3-methoxyphenyl)methylamino]cyclohexan-1-ol?
The IUPAC name of 2-[(2-fluoro-3-methoxyphenyl)methylamino]cyclohexan-1-ol (CID 104791760) is 2-[(2-fluoro-3-methoxyphenyl)methylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(2-fluoro-3-methoxyphenyl)methylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[(2-fluoro-3-methoxyphenyl)methylamino]cyclohexan-1-ol is COc1cccc(CNC2CCCCC2O)c1F.
What is the InChIKey of 2-[(2-fluoro-3-methoxyphenyl)methylamino]cyclohexan-1-ol?
The InChIKey is JYLKPVYWVQDNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-18-13-8-4-5-10(14(13)15)9-16-11-6-2-3-7-12(11)17/h4-5,8,11-12,16-17H,2-3,6-7,9H2,1H3.
What are the key properties of 2-[(2-fluoro-3-methoxyphenyl)methylamino]cyclohexan-1-ol?
2-[(2-fluoro-3-methoxyphenyl)methylamino]cyclohexan-1-ol has a molecular weight of 253.32 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluoro-3-methoxyphenyl)methylamino]cyclohexan-1-ol is sourced from PubChem (CID 104791760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).